#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3s n SER 2 N 0.00 -0.47 -3.67 -1.84 3.41 -1.26 -5.02 113.62 104.77 2a3s n SER 2 Ca 0.00 0.10 -0.28 0.00 -0.26 0.00 0.00 58.87 58.43 2a3s n SER 2 Cb 0.00 0.86 -0.10 0.00 -0.26 0.00 0.00 64.21 64.71 2a3s n SER 2 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2a3s n LYS 3 N -2.61 2.24 0.12 4.33 4.81 -1.26 -4.90 118.16 120.89 2a3s n LYS 3 Ca 0.00 -4.59 -0.03 0.00 -0.87 0.00 0.00 58.31 52.83 2a3s n LYS 3 Cb 0.00 -2.28 0.15 0.00 0.02 0.00 0.00 35.03 32.92 2a3s n LYS 3 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2a3s h PRO 4 N 4.80 0.07 0.00 1.64 0.13 -2.03 -3.38 132.00 133.22 2a3s h PRO 4 Ca 0.18 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2a3s h PRO 4 Cb 0.71 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2a3s h PRO 4 CO 0.79 0.67 0.00 -0.35 -0.23 0.00 0.00 178.00 178.88 2a3s n PRO 5 N -3.82 0.00 -2.91 1.56 -0.04 -1.26 -4.59 135.00 123.94 2a3s n PRO 5 Ca -0.02 0.37 -0.38 0.00 -0.04 0.00 0.00 63.50 63.43 2a3s n PRO 5 Cb 0.62 -0.96 -0.06 0.00 -0.04 0.00 0.00 33.50 33.06 2a3s n PRO 5 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2a3s s TYR 6 N -1.06 3.78 0.34 0.54 1.51 -1.26 -2.85 117.35 118.35 2a3s s TYR 6 Ca 0.00 1.66 0.08 0.00 -1.01 0.00 0.00 57.07 57.80 2a3s s TYR 6 Cb 0.00 -2.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.00 2a3s s TYR 6 CO 0.00 0.36 0.16 0.45 -1.11 0.00 0.00 175.55 175.41 2a3s s SER 7 N -1.44 4.73 -1.12 2.29 0.15 -1.26 -4.83 113.70 112.21 2a3s s SER 7 Ca 0.43 -0.76 -0.08 0.00 0.70 0.00 0.00 55.95 56.25 2a3s s SER 7 Cb -0.20 -0.74 -0.11 0.00 -1.71 0.00 0.00 66.02 63.26 2a3s s SER 7 CO 0.25 -0.32 2.78 -1.22 1.20 0.00 0.00 173.24 175.93 2a3s n TYR 8 N -1.18 1.66 0.00 3.44 4.01 -1.26 0.13 117.16 123.96 2a3s n TYR 8 Ca -0.03 -2.44 0.00 0.00 -0.16 0.00 0.00 57.90 55.27 2a3s n TYR 8 Cb 0.61 -2.07 0.00 0.00 -0.31 0.00 0.00 39.34 37.57 2a3s n TYR 8 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a3s n ALA 9 N 3.55 0.00 -0.01 -0.72 0.00 -1.26 -4.69 120.51 117.37 2a3s n ALA 9 Ca 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.99 2a3s n ALA 9 Cb 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.63 2a3s n ALA 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2a3s n GLN 10 N -1.31 0.63 -0.28 0.00 0.00 -1.07 -3.28 117.38 112.07 2a3s n GLN 10 Ca 0.00 0.26 -0.03 0.00 -0.00 0.00 0.00 57.00 57.23 2a3s n GLN 10 Cb 0.00 -1.78 0.14 0.00 0.00 0.00 0.00 30.24 28.60 2a3s n GLN 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2a3s h LEU 11 N 0.00 1.02 -0.43 1.69 5.85 -0.64 -1.64 115.31 121.17 2a3s h LEU 11 Ca -0.27 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 2a3s h LEU 11 Cb 1.92 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 2a3s h LEU 11 CO 0.07 0.83 0.11 0.40 -0.34 0.00 0.00 178.44 179.51 2a3s h ILE 12 N 1.14 1.23 0.06 4.05 1.08 -1.73 -1.36 117.51 121.99 2a3s h ILE 12 Ca 0.29 -0.78 0.01 0.00 -0.39 0.00 0.00 64.86 63.99 2a3s h ILE 12 Cb 0.04 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 2a3s h ILE 12 CO -0.04 0.28 -0.49 0.58 -0.69 0.00 0.00 178.15 177.78 2a3s h VAL 13 N 0.55 0.00 -0.34 1.67 2.07 -1.30 2.38 116.25 121.28 2a3s h VAL 13 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 2a3s h VAL 13 Cb 0.30 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2a3s h VAL 13 CO 0.00 0.00 0.25 -0.61 0.02 0.00 0.00 177.57 177.23 2a3s h GLN 14 N -0.66 0.00 0.12 1.57 4.15 -1.41 2.47 115.11 121.35 2a3s h GLN 14 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2a3s h GLN 14 Cb 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 2a3s h GLN 14 CO -0.30 0.00 -0.06 0.00 -1.93 0.00 0.00 178.83 176.55 2a3s h ALA 15 N 1.81 -0.16 0.00 3.38 0.00 0.14 -2.26 119.26 122.18 2a3s h ALA 15 Ca 0.16 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2a3s h ALA 15 Cb 0.67 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2a3s h ALA 15 CO -0.00 -0.33 -0.56 0.82 0.00 0.00 0.00 179.25 179.18 2a3s h ILE 16 N -0.67 1.15 -0.44 0.00 2.04 0.48 -2.82 117.51 117.25 2a3s h ILE 16 Ca -0.02 -2.06 0.07 0.00 1.00 0.00 0.00 64.86 63.85 2a3s h ILE 16 Cb 0.51 2.37 -0.06 0.00 -0.74 0.00 0.00 36.82 38.91 2a3s h ILE 16 CO 0.03 0.39 0.10 -1.28 0.00 0.00 0.00 178.15 177.38 2a3s h SER 17 N -1.00 0.04 0.45 1.72 0.87 0.41 0.16 113.55 116.19 2a3s h SER 17 Ca -0.14 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2a3s h SER 17 Cb 1.01 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2a3s h SER 17 CO -0.09 0.05 0.00 -0.24 -0.53 0.00 0.00 176.83 176.03 2a3s n SER 18 N -5.08 0.00 -3.58 6.23 2.88 -0.85 -4.77 113.62 108.44 2a3s n SER 18 Ca 0.04 -0.22 -0.29 0.00 -1.33 0.00 0.00 58.87 57.06 2a3s n SER 18 Cb 0.20 -0.25 0.23 0.00 -0.75 0.00 0.00 64.21 63.65 2a3s n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3s n ALA 19 N -1.25 -2.94 -1.00 -1.46 0.00 0.56 -4.96 120.51 109.47 2a3s n ALA 19 Ca 0.14 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.99 2a3s n ALA 19 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2a3s n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a3s n GLN 20 N -4.53 0.00 0.00 0.00 10.64 -1.26 -4.49 117.38 117.74 2a3s n GLN 20 Ca 0.15 0.26 0.00 0.00 -1.83 0.00 0.00 57.00 55.58 2a3s n GLN 20 Cb 0.57 -0.83 0.00 0.00 -0.86 0.00 0.00 30.24 29.11 2a3s n GLN 20 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2a3s n ASP 21 N -0.59 0.00 -0.96 2.61 -0.08 -1.26 -4.99 116.55 111.28 2a3s n ASP 21 Ca 0.00 0.19 -0.00 0.00 -1.51 0.00 0.00 54.79 53.47 2a3s n ASP 21 Cb 0.00 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.13 2a3s n ASP 21 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2a3s n ARG 22 N -1.76 0.01 -4.04 -0.67 1.85 -1.25 -4.82 116.66 105.98 2a3s n ARG 22 Ca 0.00 -0.02 -0.13 0.00 -1.00 0.00 0.00 57.85 56.71 2a3s n ARG 22 Cb 0.00 0.28 -0.12 0.00 -1.05 0.00 0.00 32.46 31.57 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2a3s s GLN 23 N 0.00 0.37 0.04 2.89 -2.07 -1.25 -2.84 119.66 116.80 2a3s s GLN 23 Ca 0.00 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.06 2a3s s GLN 23 Cb 0.00 -0.18 -0.03 0.00 -1.09 0.00 0.00 33.01 31.72 2a3s s GLN 23 CO -0.00 0.03 -0.04 -0.51 -1.32 0.00 0.00 175.29 173.45 2a3s s LEU 24 N -0.99 2.32 0.43 2.60 2.01 0.10 -4.82 118.68 120.33 2a3s s LEU 24 Ca -0.07 -0.66 0.06 0.00 0.01 0.00 0.00 54.13 53.47 2a3s s LEU 24 Cb -0.07 0.07 0.01 0.00 0.01 0.00 0.00 46.19 46.22 2a3s s LEU 24 CO -0.00 -0.37 0.60 0.28 1.01 0.00 0.00 176.35 177.87 2a3s s THR 25 N -2.16 3.23 0.14 5.49 -1.32 -1.26 0.27 115.64 120.02 2a3s s THR 25 Ca -0.08 -0.88 -0.27 0.00 -1.21 0.00 0.00 61.69 59.25 2a3s s THR 25 Cb -0.05 -3.12 -0.02 0.00 -1.51 0.00 0.00 72.50 67.80 2a3s s THR 25 CO -0.03 -0.06 1.59 -0.07 -2.21 0.00 0.00 174.62 173.84 2a3s h LEU 26 N 0.55 -1.17 -0.76 9.08 3.38 -1.98 0.65 115.31 125.06 2a3s h LEU 26 Ca -0.42 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2a3s h LEU 26 Cb 1.28 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2a3s h LEU 26 CO 0.49 -0.38 0.00 -0.24 0.09 0.00 0.00 178.44 178.40 2a3s n SER 27 N -5.42 0.91 -0.13 -0.43 2.88 -1.26 -3.52 113.62 106.64 2a3s n SER 27 Ca -0.03 -2.04 -0.27 0.00 -1.33 0.00 0.00 58.87 55.20 2a3s n SER 27 Cb 0.34 -0.29 -0.09 0.00 -0.75 0.00 0.00 64.21 63.42 2a3s n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a3s n GLY 28 N 0.32 -0.43 0.36 0.46 0.00 0.21 -3.54 105.19 102.58 2a3s n GLY 28 Ca 0.02 -0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.07 2a3s n GLY 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2a3s h ILE 29 N -0.95 0.79 0.26 -0.61 -0.00 -1.16 0.81 117.51 116.66 2a3s h ILE 29 Ca -0.64 -0.03 -0.01 0.00 -0.00 0.00 0.00 64.86 64.18 2a3s h ILE 29 Cb 1.55 0.68 0.00 0.00 -0.00 0.00 0.00 36.82 39.06 2a3s h ILE 29 CO -0.39 0.02 -0.12 1.88 -0.00 0.00 0.00 178.15 179.54 2a3s h TYR 30 N 0.10 -0.32 0.00 2.19 0.05 -1.74 -2.55 116.97 114.70 2a3s h TYR 30 Ca 0.24 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.01 2a3s h TYR 30 Cb 0.82 0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.66 2a3s h TYR 30 CO -0.00 -0.06 0.06 0.00 -1.05 0.00 0.00 178.16 177.11 2a3s h ALA 31 N -0.83 1.05 0.08 3.88 0.00 -1.47 -2.69 119.26 119.28 2a3s h ALA 31 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2a3s h ALA 31 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2a3s h ALA 31 CO 0.06 -0.05 -0.04 1.25 0.00 0.00 0.00 179.25 180.47 2a3s h HIS 32 N 0.00 -0.10 -0.01 0.00 -0.00 -0.75 -3.11 115.15 111.18 2a3s h HIS 32 Ca 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 2a3s h HIS 32 Cb 0.12 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 2a3s h HIS 32 CO 0.00 -0.06 -0.25 -0.84 -0.00 0.00 0.00 177.93 176.78 2a3s h ILE 33 N -0.85 0.43 0.00 6.26 -0.00 -1.21 0.22 117.51 122.36 2a3s h ILE 33 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.85 2a3s h ILE 33 Cb 0.08 0.43 0.00 0.00 -0.00 0.00 0.00 36.82 37.34 2a3s h ILE 33 CO 0.02 0.00 0.04 1.07 -0.00 0.00 0.00 178.15 179.28 2a3s n THR 34 N -5.37 1.28 0.03 0.16 5.66 -1.04 0.26 114.28 115.27 2a3s n THR 34 Ca -0.05 0.66 -0.19 0.00 -3.05 0.00 0.00 64.05 61.43 2a3s n THR 34 Cb 0.28 -1.66 -0.13 0.00 -1.55 0.00 0.00 70.33 67.27 2a3s n THR 34 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2a3s h LYS 35 N 0.00 0.37 0.00 1.09 3.64 -0.48 -3.36 116.57 117.82 2a3s h LYS 35 Ca 0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2a3s h LYS 35 Cb 0.08 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2a3s h LYS 35 CO 0.00 1.18 -1.55 0.72 -2.27 0.00 0.00 179.45 177.52 2a3s n HIS 36 N -4.16 0.00 -3.46 1.91 8.25 -0.50 -4.89 115.22 112.38 2a3s n HIS 36 Ca -0.12 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.95 2a3s n HIS 36 Cb 0.75 -0.30 -0.10 0.00 1.12 0.00 0.00 29.99 31.46 2a3s n HIS 36 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2a3s s TYR 37 N -3.02 3.23 -2.00 4.41 1.51 0.74 -4.93 117.35 117.30 2a3s s TYR 37 Ca -0.04 0.25 0.25 0.00 -1.01 0.00 0.00 57.07 56.53 2a3s s TYR 37 Cb 0.11 -2.52 1.49 0.00 -0.11 0.00 0.00 41.96 40.93 2a3s s TYR 37 CO 0.68 -0.23 1.91 -0.35 -1.11 0.00 0.00 175.55 176.45 2a3s n PRO 38 N 5.25 0.91 -0.09 -1.71 -0.04 -1.26 -3.65 135.00 134.40 2a3s n PRO 38 Ca -0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.18 2a3s n PRO 38 Cb 0.51 -1.43 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 2a3s n PRO 38 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2a3s h TYR 39 N 0.00 0.00 -3.09 0.54 3.20 -1.91 -3.43 116.97 112.28 2a3s h TYR 39 Ca 0.00 0.00 -0.55 0.00 3.14 0.00 0.00 58.73 61.32 2a3s h TYR 39 Cb 0.00 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 2a3s h TYR 39 CO 0.00 1.19 1.07 0.71 -1.64 0.00 0.00 178.16 179.49 2a3s s TYR 40 N -2.29 2.38 0.00 -3.82 2.02 -1.24 -4.49 117.35 109.91 2a3s s TYR 40 Ca -0.24 0.57 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 2a3s s TYR 40 Cb 0.03 -4.37 0.00 0.00 -0.40 0.00 0.00 41.96 37.22 2a3s s TYR 40 CO 0.56 -1.90 0.00 -2.13 -1.57 0.00 0.00 175.55 170.51 2a3s n ARG 41 N 8.37 0.00 -1.71 -0.62 0.63 -1.26 -4.33 116.66 117.75 2a3s n ARG 41 Ca 0.14 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 57.02 2a3s n ARG 41 Cb 0.49 -0.02 0.08 0.00 0.45 0.00 0.00 32.46 33.46 2a3s n ARG 41 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2a3s n THR 42 N -2.14 1.66 -3.34 5.15 -2.24 -1.26 -4.99 114.28 107.12 2a3s n THR 42 Ca 0.00 -3.03 0.02 0.00 -2.27 0.00 0.00 64.05 58.78 2a3s n THR 42 Cb 0.00 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a3s s ALA 43 N -2.83 -2.47 -0.03 6.98 0.00 -1.26 -5.04 121.76 117.10 2a3s s ALA 43 Ca 0.39 1.96 0.11 0.00 0.00 0.00 0.00 51.96 54.42 2a3s s ALA 43 Cb 0.38 -2.09 0.20 0.00 0.00 0.00 0.00 23.12 21.61 2a3s s ALA 43 CO -0.05 -1.17 1.10 -0.40 0.00 0.00 0.00 175.76 175.24 2a3s n ASP 44 N 5.36 -0.20 -3.00 0.00 5.68 -1.26 -4.86 116.55 118.26 2a3s n ASP 44 Ca -0.07 -2.02 -0.34 0.00 -0.50 0.00 0.00 54.79 51.87 2a3s n ASP 44 Cb 0.51 0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.54 2a3s n ASP 44 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2a3s n LYS 45 N 0.05 3.56 0.00 0.11 5.02 -1.26 -3.98 118.16 121.65 2a3s n LYS 45 Ca -0.14 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 2a3s n LYS 45 Cb 0.88 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2a3s n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a3s n GLY 46 N 1.27 -2.15 0.07 0.72 0.00 -1.26 -4.92 105.19 98.92 2a3s n GLY 46 Ca 0.56 0.67 0.05 0.00 0.00 0.00 0.00 46.02 47.30 2a3s n GLY 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2a3s n TRP 47 N -0.98 0.33 0.10 1.61 4.27 -1.26 -2.93 117.44 118.57 2a3s n TRP 47 Ca 0.00 0.17 -0.08 0.00 -3.89 0.00 0.00 57.50 53.70 2a3s n TRP 47 Cb 0.00 -0.77 -0.04 0.00 -1.36 0.00 0.00 31.31 29.14 2a3s n TRP 47 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 2a3s h GLN 48 N 0.00 -0.39 0.00 -2.67 5.75 -1.92 -0.64 115.11 115.24 2a3s h GLN 48 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2a3s h GLN 48 Cb 0.01 0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2a3s h GLN 48 CO 0.00 -0.26 0.00 -2.95 -2.65 0.00 0.00 178.83 172.97 2a3s h ASN 49 N -0.40 0.00 0.85 -0.69 7.08 -1.87 -3.27 115.58 117.29 2a3s h ASN 49 Ca -0.02 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.16 2a3s h ASN 49 Cb 0.37 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.61 2a3s h ASN 49 CO -0.06 0.00 -0.41 0.28 -2.08 0.00 0.00 177.43 175.16 2a3s h SER 50 N 0.00 -0.97 -0.78 6.14 0.02 -1.25 -1.60 113.55 115.11 2a3s h SER 50 Ca 0.00 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 2a3s h SER 50 Cb 0.62 0.25 -0.12 0.00 0.14 0.00 0.00 62.40 63.29 2a3s h SER 50 CO 0.00 -0.67 -0.49 0.40 -1.14 0.00 0.00 176.83 174.93 2a3s h ILE 51 N -1.20 0.03 -0.88 3.27 5.03 -1.19 2.46 117.51 125.03 2a3s h ILE 51 Ca -0.12 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 64.82 2a3s h ILE 51 Cb 0.88 0.03 -0.12 0.00 -3.03 0.00 0.00 36.82 34.58 2a3s h ILE 51 CO 0.19 0.00 0.40 -0.09 -0.68 0.00 0.00 178.15 177.98 2a3s h ARG 52 N -0.13 0.45 -0.02 2.37 1.12 -1.65 1.02 114.38 117.54 2a3s h ARG 52 Ca 0.19 -0.03 -0.19 0.00 -1.11 0.00 0.00 59.98 58.84 2a3s h ARG 52 Cb 0.52 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.37 2a3s h ARG 52 CO -0.82 0.30 -0.82 1.25 -3.11 0.00 0.00 179.97 176.77 2a3s h HIS 53 N 0.46 0.36 -0.24 2.20 2.76 0.21 -3.24 115.15 117.67 2a3s h HIS 53 Ca 0.53 -0.18 -0.12 0.00 -2.20 0.00 0.00 60.37 58.40 2a3s h HIS 53 Cb 0.94 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 2a3s h HIS 53 CO -0.12 0.96 -0.33 -0.91 -1.30 0.00 0.00 177.93 176.23 2a3s h ASN 54 N 0.15 0.70 0.00 3.26 2.35 0.81 -2.52 115.58 120.33 2a3s h ASN 54 Ca -0.04 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 2a3s h ASN 54 Cb 1.42 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2a3s h ASN 54 CO 0.13 1.07 0.27 -0.07 -1.65 0.00 0.00 177.43 177.17 2a3s h LEU 55 N 0.35 0.00 0.00 1.61 3.38 0.79 0.74 115.31 122.18 2a3s h LEU 55 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2a3s h LEU 55 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2a3s h LEU 55 CO 0.08 0.00 -0.80 0.28 0.09 0.00 0.00 178.44 178.09 2a3s h SER 56 N 0.00 0.00 -0.10 -0.43 0.02 -1.52 -3.39 113.55 108.13 2a3s h SER 56 Ca 0.00 -0.32 -0.13 0.00 -0.84 0.00 0.00 61.79 60.50 2a3s h SER 56 Cb 0.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2a3s h SER 56 CO 0.00 1.11 -0.38 0.17 -1.14 0.00 0.00 176.83 176.59 2a3s h LEU 57 N -1.00 0.66 -9.19 5.07 8.10 -1.04 -3.44 115.31 114.47 2a3s h LEU 57 Ca -0.17 -0.29 -0.66 0.00 0.11 0.00 0.00 57.88 56.87 2a3s h LEU 57 Cb 0.89 -0.18 0.10 0.00 -0.44 0.00 0.00 40.66 41.02 2a3s h LEU 57 CO -0.10 0.97 -0.12 0.59 -4.11 0.00 0.00 178.44 175.66 2a3s n ASN 58 N -4.04 0.08 0.02 0.17 5.03 0.25 -4.86 115.26 111.91 2a3s n ASN 58 Ca -0.02 1.15 -0.01 0.00 0.87 0.00 0.00 54.58 56.57 2a3s n ASN 58 Cb 0.51 -1.09 -0.09 0.00 -1.02 0.00 0.00 39.78 38.09 2a3s n ASN 58 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2a3s n ARG 59 N 1.16 0.62 -1.62 3.52 1.74 -1.26 -4.18 116.66 116.65 2a3s n ARG 59 Ca 0.16 0.23 -0.34 0.00 -0.77 0.00 0.00 57.85 57.12 2a3s n ARG 59 Cb 0.24 -1.80 0.06 0.00 -1.02 0.00 0.00 32.46 29.94 2a3s n ARG 59 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 2a3s n TYR 60 N -2.90 3.12 -3.92 -1.55 4.11 -1.26 -4.94 117.16 109.82 2a3s n TYR 60 Ca -0.11 -2.77 -0.10 0.00 -0.00 0.00 0.00 57.90 54.92 2a3s n TYR 60 Cb 0.88 -1.17 -0.12 0.00 -0.00 0.00 0.00 39.34 38.92 2a3s n TYR 60 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2a3s s PHE 61 N -3.84 0.12 0.26 -3.48 0.08 -1.26 -2.72 117.98 107.13 2a3s s PHE 61 Ca 0.59 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 57.38 2a3s s PHE 61 Cb 0.47 -0.09 0.01 0.00 -0.57 0.00 0.00 43.02 42.84 2a3s s PHE 61 CO -0.11 -0.14 0.38 0.44 -0.10 0.00 0.00 175.22 175.69 2a3s n ILE 62 N 2.12 0.00 -3.76 0.64 -5.35 0.58 -4.81 119.36 108.78 2a3s n ILE 62 Ca -0.19 -1.18 -0.22 0.00 -0.27 0.00 0.00 62.75 60.89 2a3s n ILE 62 Cb 0.57 0.77 -0.02 0.00 -1.74 0.00 0.00 39.64 39.22 2a3s n ILE 62 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2a3s s LYS 63 N -2.49 3.41 0.26 6.28 -0.14 -1.26 0.16 119.74 125.97 2a3s s LYS 63 Ca 0.19 -0.67 0.12 0.00 -1.36 0.00 0.00 55.97 54.25 2a3s s LYS 63 Cb -0.01 -2.82 0.29 0.00 -1.68 0.00 0.00 37.83 33.60 2a3s s LYS 63 CO 0.14 0.32 1.56 -0.39 -0.76 0.00 0.00 175.35 176.21 2a3s h VAL 64 N 1.03 1.34 -4.04 3.17 -1.51 -0.62 -3.42 116.25 112.20 2a3s h VAL 64 Ca -0.51 -2.27 -0.45 0.00 -1.23 0.00 0.00 66.70 62.25 2a3s h VAL 64 Cb 1.23 2.26 0.16 0.00 -2.13 0.00 0.00 31.29 32.81 2a3s h VAL 64 CO 0.60 0.62 0.43 -2.16 -1.23 0.00 0.00 177.57 175.83 2a3s s PRO 65 N -3.38 0.67 0.05 5.19 0.04 -1.26 -5.00 135.00 131.31 2a3s s PRO 65 Ca -0.00 -0.40 -0.31 0.00 0.04 0.00 0.00 61.00 60.33 2a3s s PRO 65 Cb 0.11 -1.85 -0.17 0.00 0.04 0.00 0.00 34.50 32.64 2a3s s PRO 65 CO 0.76 -2.40 1.46 0.00 0.04 0.00 0.00 177.00 176.86 2a3s h ARG 66 N -1.63 -1.05 0.00 4.56 3.08 -2.01 -3.46 114.38 113.87 2a3s h ARG 66 Ca -0.44 0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2a3s h ARG 66 Cb 1.24 0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.52 2a3s h ARG 66 CO 0.39 -0.70 0.00 0.43 -1.07 0.00 0.00 179.97 179.02 2a3s n SER 67 N -4.97 0.00 -4.73 7.04 7.64 -1.26 -4.97 113.62 112.37 2a3s n SER 67 Ca -0.13 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 2a3s n SER 67 Cb 0.43 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 2a3s n SER 67 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2a3s s GLN 68 N -1.00 4.70 0.32 1.43 -0.21 -1.26 -4.99 119.66 118.65 2a3s s GLN 68 Ca 0.00 1.46 -0.29 0.00 0.02 0.00 0.00 55.36 56.55 2a3s s GLN 68 Cb 0.00 -3.37 -0.11 0.00 1.00 0.00 0.00 33.01 30.53 2a3s s GLN 68 CO 0.00 0.22 1.47 -1.21 -2.12 0.00 0.00 175.29 173.66 2a3s s GLU 69 N -0.07 4.19 -0.35 2.91 8.01 -1.26 -4.86 118.70 127.27 2a3s s GLU 69 Ca 0.47 2.46 0.05 0.00 0.01 0.00 0.00 54.97 57.96 2a3s s GLU 69 Cb -0.24 -3.03 0.18 0.00 -4.31 0.00 0.00 34.13 26.73 2a3s s GLU 69 CO 0.30 -0.48 0.52 -1.21 0.01 0.00 0.00 175.26 174.40 2a3s s GLU 70 N -1.29 0.63 0.51 1.61 2.02 -1.26 -5.15 118.70 115.76 2a3s s GLU 70 Ca 0.56 -0.10 -0.18 0.00 0.02 0.00 0.00 54.97 55.27 2a3s s GLU 70 Cb -0.45 -0.12 -0.08 0.00 0.10 0.00 0.00 34.13 33.59 2a3s s GLU 70 CO 0.54 -1.12 1.01 -1.25 0.02 0.00 0.00 175.26 174.45 2a3s s PRO 71 N 2.16 3.82 0.00 0.39 0.04 -1.26 -4.73 135.00 135.42 2a3s s PRO 71 Ca 0.13 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2a3s s PRO 71 Cb -0.10 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2a3s s PRO 71 CO -0.16 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 176.89 2a3s n GLY 72 N -0.82 0.98 0.25 0.56 0.00 -1.26 -4.96 105.19 99.94 2a3s n GLY 72 Ca 0.08 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.35 2a3s n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a3s h LYS 73 N 0.00 0.00 -1.22 1.61 6.56 -2.10 -3.41 116.57 118.01 2a3s h LYS 73 Ca 0.00 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 59.72 2a3s h LYS 73 Cb 0.00 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 31.45 2a3s h LYS 73 CO 0.00 0.14 -0.07 0.20 -2.06 0.00 0.00 179.45 177.66 2a3s s GLY 74 N -4.20 -0.66 -0.30 3.86 0.00 -1.26 -5.13 107.32 99.63 2a3s s GLY 74 Ca -0.03 2.38 -0.03 0.00 0.00 0.00 0.00 44.72 47.05 2a3s s GLY 74 CO 0.60 3.31 0.74 -0.56 0.00 0.00 0.00 173.10 177.19 2a3s s SER 75 N 2.80 -1.16 0.00 1.64 0.01 -1.26 -4.99 113.70 110.74 2a3s s SER 75 Ca 0.05 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2a3s s SER 75 Cb -0.12 1.88 0.00 0.00 0.21 0.00 0.00 66.02 67.99 2a3s s SER 75 CO -0.18 -0.21 0.00 0.49 0.41 0.00 0.00 173.24 173.74 2a3s n PHE 76 N 5.40 0.00 -2.11 2.43 3.72 -1.26 -4.85 117.46 120.79 2a3s n PHE 76 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 2a3s n PHE 76 Cb 0.53 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.17 2a3s n PHE 76 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2a3s s TRP 77 N -1.39 2.53 0.09 1.38 0.52 0.75 0.02 118.94 122.84 2a3s s TRP 77 Ca 0.00 0.42 -0.26 0.00 0.02 0.00 0.00 56.10 56.28 2a3s s TRP 77 Cb 0.00 -3.43 0.08 0.00 -1.15 0.00 0.00 33.47 28.96 2a3s s TRP 77 CO 0.00 -1.77 0.68 -0.98 0.02 0.00 0.00 176.95 174.89 2a3s s ARG 78 N -5.44 1.14 0.12 4.98 1.70 0.42 0.03 118.95 121.89 2a3s s ARG 78 Ca 0.64 -0.30 0.03 0.00 -0.47 0.00 0.00 55.73 55.62 2a3s s ARG 78 Cb -0.09 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2a3s s ARG 78 CO 0.47 -0.47 0.21 0.96 -1.08 0.00 0.00 175.30 175.39 2a3s s ILE 79 N -3.14 5.06 0.69 4.99 -4.36 -1.13 0.21 121.20 123.53 2a3s s ILE 79 Ca -0.00 -0.71 -0.17 0.00 -0.26 0.00 0.00 60.65 59.51 2a3s s ILE 79 Cb -0.01 -3.55 0.01 0.00 1.25 0.00 0.00 42.46 40.16 2a3s s ILE 79 CO -0.08 -0.01 1.21 0.47 0.24 0.00 0.00 174.94 176.77 2a3s n ASP 80 N -0.19 1.56 -0.02 4.36 9.92 -1.10 -4.79 116.55 126.29 2a3s n ASP 80 Ca -0.07 0.75 -0.09 0.00 -0.53 0.00 0.00 54.79 54.86 2a3s n ASP 80 Cb 0.53 -1.52 -0.07 0.00 -0.64 0.00 0.00 41.12 39.42 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2a3s h PRO 81 N 0.12 -0.08 0.00 -0.24 0.13 -1.97 -2.62 132.00 127.34 2a3s h PRO 81 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2a3s h PRO 81 Cb 1.33 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2a3s h PRO 81 CO 0.51 0.44 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 2a3s n ALA 82 N -2.64 2.41 0.61 -0.56 0.00 -1.26 -1.95 120.51 117.12 2a3s n ALA 82 Ca -0.06 -0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.30 2a3s n ALA 82 Cb 0.27 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.22 2a3s n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2a3s n SER 83 N -1.00 0.84 0.00 0.00 7.64 -1.23 -4.57 113.62 115.30 2a3s n SER 83 Ca 0.18 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.35 2a3s n SER 83 Cb 0.09 1.14 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 2a3s n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2a3s n GLU 84 N -1.50 0.00 -0.30 1.43 1.02 -0.82 0.25 120.64 120.71 2a3s n GLU 84 Ca 0.02 0.50 0.34 0.00 -0.02 0.00 0.00 57.16 57.99 2a3s n GLU 84 Cb 0.28 -1.42 0.60 0.00 -0.02 0.00 0.00 31.44 30.88 2a3s n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a3s h ALA 85 N -1.87 3.09 0.00 0.62 0.00 -1.82 0.19 119.26 119.47 2a3s h ALA 85 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2a3s h ALA 85 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2a3s h ALA 85 CO 0.00 -1.75 -0.37 -0.22 0.00 0.00 0.00 179.25 176.91 2a3s h LYS 86 N 0.00 0.00 0.85 0.00 3.11 -1.46 -3.29 116.57 115.78 2a3s h LYS 86 Ca 0.56 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.37 2a3s h LYS 86 Cb 2.83 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 34.06 2a3s h LYS 86 CO -0.01 0.27 -0.48 1.37 -2.81 0.00 0.00 179.45 177.79 2a3s h LEU 87 N -1.00 -1.20 -2.00 5.20 8.10 0.56 -1.67 115.31 123.31 2a3s h LEU 87 Ca -0.05 0.06 0.53 0.00 0.11 0.00 0.00 57.88 58.53 2a3s h LEU 87 Cb 0.50 0.34 -0.07 0.00 -0.44 0.00 0.00 40.66 40.98 2a3s h LEU 87 CO -0.03 -0.76 1.32 -0.37 -4.11 0.00 0.00 178.44 174.49 2a3s h VAL 88 N -1.23 0.08 -0.85 0.15 -1.51 -0.93 1.25 116.25 113.20 2a3s h VAL 88 Ca -0.11 -0.00 0.16 0.00 -1.23 0.00 0.00 66.70 65.51 2a3s h VAL 88 Cb 0.97 0.08 -0.06 0.00 -2.13 0.00 0.00 31.29 30.15 2a3s h VAL 88 CO 0.14 0.00 0.56 -0.08 -1.23 0.00 0.00 177.57 176.96 2a3s h GLU 89 N 0.00 0.53 0.00 5.19 4.81 -1.36 1.18 114.58 124.93 2a3s h GLU 89 Ca 0.87 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 60.07 2a3s h GLU 89 Cb 3.51 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 32.77 2a3s h GLU 89 CO -0.01 0.35 -0.97 0.94 -0.73 0.00 0.00 179.01 178.59 2a3s n GLN 90 N -4.53 0.54 0.07 1.92 7.27 0.42 -3.41 117.38 119.66 2a3s n GLN 90 Ca 0.17 0.10 -0.06 0.00 0.07 0.00 0.00 57.00 57.28 2a3s n GLN 90 Cb 0.54 -1.79 -0.11 0.00 2.41 0.00 0.00 30.24 31.29 2a3s n GLN 90 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2a3s h ALA 91 N 2.11 0.38 0.00 1.69 0.00 0.67 -3.22 119.26 120.89 2a3s h ALA 91 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 54.91 53.99 2a3s h ALA 91 Cb 0.95 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2a3s h ALA 91 CO 0.00 1.21 -0.41 0.74 0.00 0.00 0.00 179.25 180.79 2a3s h PHE 92 N 0.00 0.00 -0.34 0.00 0.04 0.97 -3.45 116.94 114.16 2a3s h PHE 92 Ca -0.01 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.09 2a3s h PHE 92 Cb 1.74 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.77 2a3s h PHE 92 CO 0.00 0.18 -0.48 0.50 -0.60 0.00 0.00 178.31 177.91 2a3s s ARG 93 N -3.15 2.21 0.21 1.51 3.52 -1.21 -5.10 118.95 116.94 2a3s s ARG 93 Ca 0.04 -2.35 -0.04 0.00 -0.13 0.00 0.00 55.73 53.26 2a3s s ARG 93 Cb 0.07 -1.62 0.05 0.00 -1.56 0.00 0.00 34.95 31.88 2a3s s ARG 93 CO 0.72 -0.42 0.27 1.63 -0.81 0.00 0.00 175.30 176.69 2a3s n LYS 94 N -1.36 -0.46 -2.28 5.12 4.01 -1.26 -4.80 118.16 117.14 2a3s n LYS 94 Ca -0.17 -0.42 -0.43 0.00 -0.51 0.00 0.00 58.31 56.78 2a3s n LYS 94 Cb 0.67 -0.30 -0.02 0.00 -0.51 0.00 0.00 35.03 34.87 2a3s n LYS 94 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2a3s s ARG 95 N -3.59 4.02 -0.00 1.97 3.52 -1.13 -4.89 118.95 118.84 2a3s s ARG 95 Ca 0.16 1.63 0.05 0.00 -0.13 0.00 0.00 55.73 57.44 2a3s s ARG 95 Cb -0.01 -3.90 -0.02 0.00 -1.56 0.00 0.00 34.95 29.47 2a3s s ARG 95 CO 0.11 -0.99 -0.17 1.03 -0.81 0.00 0.00 175.30 174.47 2a3s s ARG 96 N 4.07 1.33 -0.12 5.12 1.81 -1.26 -5.03 118.95 124.87 2a3s s ARG 96 Ca 0.62 -0.66 0.19 0.00 -1.72 0.00 0.00 55.73 54.16 2a3s s ARG 96 Cb -0.23 -1.31 0.43 0.00 -0.45 0.00 0.00 34.95 33.40 2a3s s ARG 96 CO 0.23 0.35 1.19 1.04 -0.68 0.00 0.00 175.30 177.43 2a3s n GLN 97 N 2.48 0.94 -0.11 3.54 1.13 -1.26 -4.83 117.38 119.27 2a3s n GLN 97 Ca -0.15 -2.73 -0.13 0.00 -1.94 0.00 0.00 57.00 52.05 2a3s n GLN 97 Cb 0.54 -0.86 -0.03 0.00 0.11 0.00 0.00 30.24 30.00 2a3s n GLN 97 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2a3s h ARG 98 N 1.19 0.80 -0.68 -1.09 0.11 -1.98 -3.42 114.38 109.31 2a3s h ARG 98 Ca -0.10 -0.39 -0.12 0.00 0.10 0.00 0.00 59.98 59.47 2a3s h ARG 98 Cb 1.49 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.42 2a3s h ARG 98 CO 0.11 1.02 -0.40 0.41 0.10 0.00 0.00 179.97 181.21 2a3s n GLY 99 N 0.07 -0.79 2.36 0.08 0.00 -1.26 -5.00 105.19 100.64 2a3s n GLY 99 Ca -0.03 0.62 -0.03 0.00 0.00 0.00 0.00 46.02 46.59 2a3s n GLY 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2a3s n VAL 100 N 2.66 0.05 -0.27 1.61 3.14 -1.26 -5.21 118.33 119.04 2a3s n VAL 100 Ca 0.15 -0.89 0.00 0.00 -2.96 0.00 0.00 64.34 60.64 2a3s n VAL 100 Cb 0.59 0.92 0.00 0.00 -1.06 0.00 0.00 33.84 34.29 2a3s n VAL 100 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13